SCHEMBL3377595

SCHEMBL3377595

Cc1ncoc1OC(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MGLL Q99685 1/20 0.32
FAAH O00519 1/20 0.30
ABCC3 O15438 1/20 0.30
ABCC4 O15439 1/20 0.30
ABCB11 O95342 1/20 0.30
LPAR1 Q92633 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3377874 0.85 HRH3 (0.39) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3381483 0.85 HRH3 (0.37) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3378689 0.85 HRH3 (0.39) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3377338 0.85 HRH3 (0.40) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3375225 0.84 HRH3 (0.47) HRH3KDM4EALDH1A1POLB
SCHEMBL3376099 0.83 HRH3 (0.40) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3378211 0.83 HRH3 (0.40) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3378100 0.83 HRH3 (0.40) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3381202 0.82 HRH3 (0.39) HRH3MEN1KMT2AP2RX7KDM4E
SCHEMBL3379864 0.82 HRH3 (0.39) HRH3MEN1KMT2AP2RX7KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed